SCHEMBL6015995

SCHEMBL6015995

O=C1Nc2ccccc2O/C1=C/c1c[nH]c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
NTRK1 P04629 5/20 0.59
RET P07949 3/20 0.59
PRKD3 O94806 2/20 0.59
ABL1 P00519 2/20 0.59
PDGFRB P09619 2/20 0.59
LTK P29376 2/20 0.59
KDR P35968 2/20 0.59
FLT3 P36888 2/20 0.59
CSNK1A1 P48729 2/20 0.59
CDK7 P50613 2/20 0.59
MAP2K1 Q02750 2/20 0.59
MST1R Q04912 2/20 0.59
NTRK3 Q16288 2/20 0.59
NTRK2 Q16620 2/20 0.59
AURKB Q96GD4 2/20 0.59
CLK4 Q9HAZ1 2/20 0.59
ALK Q9UM73 2/20 0.59
DAPK3 O43293 1/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6015997 1.00 MEN1 (0.60) MEN1KMT2ANTRK1RETPRKD3
SCHEMBL6015746 0.84 PIK3CA (0.47) MEN1KMT2ANTRK1RETPRKD3
SCHEMBL6015743 0.84 PIK3CA (0.47) MEN1KMT2ANTRK1RETPRKD3
SCHEMBL5576480 0.83 NTRK1 (0.53) MEN1KMT2ANTRK1RETPRKD3
SCHEMBL5576484 0.83 NTRK1 (0.53) MEN1KMT2ANTRK1RETPRKD3
SCHEMBL5576481 0.83 NTRK1 (0.53) MEN1KMT2ANTRK1RETPRKD3
SCHEMBL6015837 0.83 MEN1 (0.51) MEN1KMT2ANTRK1RETPRKD3
SCHEMBL6015835 0.83 MEN1 (0.51) MEN1KMT2ANTRK1RETPRKD3
SCHEMBL12537511 0.82 PIK3CA (0.51) MEN1KMT2ANTRK1RETPRKD3
SCHEMBL12537517 0.82 PIK3CA (0.51) MEN1KMT2ANTRK1RETPRKD3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7049312-B1 Benzothiazinone and benzoxazinone compounds ABBOTT GMBH & CO. KG (DE) 2006-05-23 US disclosed
EP-1181282-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP disclosed
WO-2000075139-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2000-12-14 WO disclosed